6-methoxy-9-propan-2-ylpurine

C9H12N4O — CID 59267231

IUPAC6-methoxy-9-propan-2-ylpurine
SMILESCOc1ncnc2c1ncn2C(C)C
InChIInChI=1S/C9H12N4O/c1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3/h4-6H,1-3H3
InChIKeyDBNNROBQWDRNQZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.42
Rot. Bonds2

About 6-methoxy-9-propan-2-ylpurine

6-methoxy-9-propan-2-ylpurine (PubChem CID 59267231) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-methoxy-9-propan-2-ylpurine.

Molecular Properties

Compound Name6-methoxy-9-propan-2-ylpurine
PubChem CID59267231
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name6-methoxy-9-propan-2-ylpurine
SMILESCOc1ncnc2c1ncn2C(C)C
InChIInChI=1S/C9H12N4O/c1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3/h4-6H,1-3H3
InChIKeyDBNNROBQWDRNQZ-UHFFFAOYSA-N
XLogP1.42
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-propan-2-ylpurine?
The IUPAC name of 6-methoxy-9-propan-2-ylpurine (CID 59267231) is 6-methoxy-9-propan-2-ylpurine.
What is the SMILES notation for 6-methoxy-9-propan-2-ylpurine?
The canonical SMILES for 6-methoxy-9-propan-2-ylpurine is COc1ncnc2c1ncn2C(C)C.
What is the InChIKey of 6-methoxy-9-propan-2-ylpurine?
The InChIKey is DBNNROBQWDRNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3/h4-6H,1-3H3.
What are the key properties of 6-methoxy-9-propan-2-ylpurine?
6-methoxy-9-propan-2-ylpurine has a molecular weight of 192.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-propan-2-ylpurine is sourced from PubChem (CID 59267231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).